Receptor
PDB id Resolution Class Description Source Keywords
4UEC 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE COMPLEX OF D. MELANOGASTER EIF4E WITH EIF4G AND CAP ANALOG DROSOPHILA MELANOGASTER TRANSLATION GENE REGULATION CAP BINDING PROTEIN 4E BINDINPROTEIN TRANSLATION INITIATION
Ref.: MOLECULAR ARCHITECTURE OF 4E-BP TRANSLATIONAL INHIB BOUND TO EIF4E. MOL.CELL V. 57 1074 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MGT A:1237;
C:1237;
Valid;
Valid;
none;
none;
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539.223 C11 H20 N5 O14 P3 CN1CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UEC 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE COMPLEX OF D. MELANOGASTER EIF4E WITH EIF4G AND CAP ANALOG DROSOPHILA MELANOGASTER TRANSLATION GENE REGULATION CAP BINDING PROTEIN 4E BINDINPROTEIN TRANSLATION INITIATION
Ref.: MOLECULAR ARCHITECTURE OF 4E-BP TRANSLATIONAL INHIB BOUND TO EIF4E. MOL.CELL V. 57 1074 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 4UEC - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 4UEC - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 4UEC - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
2 5T48 - MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MGT; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 MGT 1 1
2 M7G 0.910256 1
3 8GT 0.557895 0.914634
4 TPG 0.55 0.920455
5 G8D 0.505155 0.914634
6 M7M 0.49505 0.963855
7 CTP 0.453608 0.829268
8 UTP 0.447917 0.780488
9 6G0 0.438095 0.837209
10 8DG 0.433962 0.872093
11 01G 0.433628 0.791209
12 MGP 0.428571 0.837209
13 H6Y 0.428571 0.77907
14 8GM 0.414141 0.902439
15 GTP 0.411215 0.823529
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UEC; Ligand: MGT; Similar sites found: 37
This union binding pocket(no: 1) in the query (biounit: 4uec.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4X7G 3Y8 0.03333 0.40985 2.5641
2 2QUN FUD 0.002461 0.44569 2.71739
3 2W9S NDP 0.009561 0.43575 3.10559
4 5C1P ADP 0.03565 0.40742 3.84615
5 3PBB PBD 0.02273 0.40102 5.43478
6 5KMS NAD 0.01878 0.44732 6.41026
7 5KMS FAD 0.02128 0.4368 6.41026
8 5MGD GLC GAL GAL 0.01272 0.42254 6.41026
9 2FB3 GTP 0.02751 0.40806 6.41026
10 5LUN ARG 0.0366 0.40486 6.52174
11 5LUN OGA 0.01417 0.40333 6.52174
12 4NPL AKG 0.01197 0.40732 7.06522
13 2P0D I3P 0.0008077 0.48577 7.69231
14 2WPF WPF 0.02787 0.43878 7.69231
15 1LF9 ACR 0.01057 0.41851 8.97436
16 3NRR D16 0.04846 0.4091 10.2564
17 3SAO NKN 0.02296 0.40485 10.2564
18 3KJS NAP 0.0263 0.413 10.3261
19 4DYG MES 0.04255 0.40413 11.413
20 1MO9 KPC 0.04695 0.42846 11.5385
21 4TM3 FAD 0.04243 0.42725 11.5385
22 2HSA FMN 0.03233 0.40256 11.5385
23 4OR7 NAP 0.03219 0.40861 12.1212
24 3RG9 WRA 0.0263 0.42682 12.5
25 3RG9 NDP 0.02446 0.42682 12.5
26 2Z8G GLC GLC BGC 0.02128 0.40111 14.6739
27 5KVA SAM 0.03691 0.40354 15.3846
28 5HUA FK5 0.01098 0.40561 15.6522
29 5DXV NAP 0.02584 0.40684 17.3077
30 4M4K GDU 0.03627 0.40389 17.3913
31 4M4K XYP XYP 0.03627 0.40389 17.3913
32 1D1G NDP 0.02432 0.40934 17.9487
33 4RFR RHN 0.01582 0.4154 24.359
34 2CDU FAD 0.04322 0.41269 24.359
35 5VZ0 2BA 0.006489 0.41411 25.641
36 1YID ATP 0.02548 0.40642 25.641
37 2FHF GLC GLC GLC GLC 0.009123 0.43412 42.3077
Pocket No.: 2; Query (leader) PDB : 4UEC; Ligand: MGT; Similar sites found: 28
This union binding pocket(no: 2) in the query (biounit: 4uec.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4M7V NAP 0.03803 0.40242 2.85714
2 5U8U FAD 0.04573 0.40926 3.80435
3 1XNK XS2 0.01543 0.40708 4.34783
4 3HIW C2X 0.02231 0.41027 5.97826
5 2IGA XX2 0.01787 0.40508 5.97826
6 4MN7 SME 0.006424 0.42382 6.71141
7 1GET FAD 0.0377 0.42995 7.06522
8 5IN4 GDP 0.02546 0.46576 7.69231
9 5IN4 NAP 0.02617 0.46576 7.69231
10 5IN4 6CK 0.03392 0.45919 7.69231
11 1FRB ZST 0.009439 0.45349 7.69231
12 2Z3U CRR 0.03153 0.41088 8.97436
13 3E7O 35F 0.04801 0.40858 8.97436
14 1IM8 SAI 0.01144 0.4298 9.78261
15 1ULV ACR 0.009321 0.41894 10.2564
16 4DRI RAP 0.02241 0.4103 10.2564
17 1ZGD NAP 0.02624 0.40035 10.2564
18 1ZUA TOL 0.02211 0.4378 10.3261
19 1ZUA NAP 0.02211 0.4378 10.3261
20 1FDQ HXA 0.02399 0.41812 11.4504
21 1MO9 FAD 0.02743 0.44672 11.5385
22 5X8G S0N 0.0336 0.42293 12.8205
23 2BRY FAD 0.04833 0.40515 12.8205
24 3IHZ FK5 0.04663 0.40253 13.4921
25 3JZ4 NAP 0.02661 0.41169 14.6739
26 2GLX NDP 0.03467 0.41404 15.3846
27 4LAY I63 0.003612 0.43439 21.7949
28 1ICP FMN 0.04134 0.4009 26.9231
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